Self-passivation of vacancies in α-PbO
Thunder Bay Regional Research Institute - 290 Munro St., Thunder Bay, ON, P7A 7T1, Canada and
Department of Physics, Lakehead University - 955 Oliver Road, Thunder Bay, ON, P7B 5E1, Canada
Received: 2 April 2013
Accepted: 8 May 2013
We introduce a self-passivation of single lead (Pb) and oxygen (O) vacancies in the α-PbO compound through formation of a Pb-O vacancy pair. With help of the first-principles methods we found that the preferential mechanism for pair formation involves initial development of the single Pb vacancy which, by weakening the covalent bonding, sets up the crystal lattice for an appearance of the O vacancy. Binding of the Pb and O vacancies occurs through the ionization interactions. Since no dangling bonds appear at the Pb-O pair site, this defect has a minor effect on the electronic properties. In such, vacancy self-passivation offers a practical way to improve the transport properties in thermally grown PbO layers.
PACS: 71.20.Nr – Semiconductor compounds / 71.55.Cn – Elemental semiconductors
© EPLA, 2013